6-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
6-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,2,4-triazin-5(2H)-one
6-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V020-8947 |
| Compound Name: | 6-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 488.59 |
| Molecular Formula: | C28 H32 N4 O4 |
| Salt: | not_available |
| Smiles: | COc1cc(ccc1OCC=C)C1NN=C(CCC(N2CCC(CC2)Cc2ccccc2)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8112 |
| logD: | 3.8112 |
| logSw: | -4.1762 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.564 |
| InChI Key: | SSAWEOKQRQJNKG-UHFFFAOYSA-N |